VirtualTaste

Natural Compounds

The taste of a selection of natural compounds was predicted using our taste prediction models. This dataset includes compounds that were predicted to either have a sweet (S) or bitter (B) taste. All of these compounds can be found in the Supernatural II Database and can be accessed through the Supernatural ID links.

Supernatural ID	SMILES	Taste	Confidence
SN00241702	C1(=O)C(=O)C(=O)C(=O)C1=O	B	0.994000018
SN00241755	[C@@]1([C@H]2CCC(=CC2)C)(O[C@@](CC(=O)C1)(C)C)C	B	0.959999979
SN00241832	C(=O)OC[C@@H](C)C	B	0.995999992
SN00241961	c12[C@@H]3N([C@H](Cc1occ(c2=O)C)CC3)C	B	0.959999979
SN00242111	c1(oc2c(c(=O)c1)c(ccc2O)O)c1c(O)cccc1	B	0.966000021
SN00242208	C(=O)(CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC	B	0.991999984
SN00242372	[C@H](CCCCCCCCCCCCCCCCCCCCCCC)(CC)C	B	0.995999992
SN00242428	c1(C(=O)C)c(cncc1)C	B	0.984000027
SN00242633	C(C[C@H](CCCC)C)C[C@H](CCCCCCCC)C	B	0.991999984
SN00242638	C(=O)([C@@H](C)C)OCC	B	0.984000027
SN00242688	[C@]12([C@@H]3C(=C[C@](CC3)(C=C)C)CC[C@H]1[C@H](C(=O)CC2)C)C	B	0.958000004
SN00242944	S(C(=O)C)C(=O)C	B	0.958000004
SN00243006	c1(n(c[n+](c1)C)C)C(=O)[O-]	B	0.95599997
SN00243050	c12c(oc3c(c1=O)cc(c(c3)OC)OC)cc(c(c2OC)O)O	B	0.952000022
SN00243167	C(=O)(OCCCCCCCCCCC/C=C\CC)C	B	0.959999979
SN00243273	c1(=C\[C@@H]([C@](Cl)(Cl)Cl)C)/n(c(=O)/c(=C\[C@@H]([C@@](Cl)(Cl)Cl)C)n(c1=O)C)C	B	0.976000011
SN00243365	S1S[C@@H](SS[C@@H]1C[C@@H](C)C)C	B	0.952000022
SN00243385	[C@H](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)O	B	0.991999984
SN00243451	C(/C(=C/CC[C@H](CCO)C)C)C/C=C(/CC/C=C(/C)C)C	B	0.959999979
SN00243540	C(=O)([C@@H](CC)C)OCC	B	0.953999996
SN00243665	C(CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCO	B	0.958000004
SN00243699	c12c(ccc(n1)CCCCC)cccc2	B	0.95599997
SN00243709	c1([C@H](OCC)C)nccnc1	B	0.981999993
SN00243841	[C@]12([C@](C(=O)OCC3=CCN4[C@H]3[C@H](OC(=O)C(=C)[C@@H]2C)CC4)(O)C)OC1	B	0.95599997
SN00243915	C([C@@H](O)C)CCCCCCCCCC	B	0.981999993

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